[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol

C12H26O3Si — CID 10890219

IUPAC[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CO
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-10-7-6-8-14-11(10)9-13/h10-11,13H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyNERBBRIJPYIFSZ-WDEREUQCSA-N
MW246.42 g/mol
LogP2.55
Rot. Bonds3

About [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol

[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol (PubChem CID 10890219) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
PubChem CID10890219
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CO
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-10-7-6-8-14-11(10)9-13/h10-11,13H,6-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyNERBBRIJPYIFSZ-WDEREUQCSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol (CID 10890219) is [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol?
The InChIKey is NERBBRIJPYIFSZ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-10-7-6-8-14-11(10)9-13/h10-11,13H,6-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol?
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol has a molecular weight of 246.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methanol is sourced from PubChem (CID 10890219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).